Geometry & MOs

Info

ID:	136107
PubChem CID:	51979518
Reduced:	N2O3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-18.52
Dipole, Da:	7.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784683
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[6-chloro-1-(2-methylpropyl)benzimidazol-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC3=C(N2CC(C)C)C=CC(=C3)C(=O)[O-]

DOS

IR

Vibrations